Compound Identification
SMILES
NC(=O)C1=CC2=C(NC3=NC=NC(=C23)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=WSZDDGRASVGCMJ-UHFFFAOYSA-N
Formula
C17H12N4O
Mass
288.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Indolecarboxamides and derivatives Pyrrolo[2,3-d]pyrimidines Indoles Benzene and substituted derivatives Pyrroles Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxamide derivative - Indolecarboxylic acid derivative - 4-phenylpyrimidine - Pyrrolo[2,3-d]pyrimidine - Indole - Indole or derivatives - Pyrrolopyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxamide group - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available